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CAS 128438-01-7 (Z)-2-(2-Aminothiazole-4-yl-)-2-trityloxyimino acetic acid molecular structure lightbox
CAS RN: 128438-01-7

(Z)-2-(2-Aminothiazole-4-yl-)-2-trityloxyimino acetic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260517 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS128438-01-7
  • Purity/Analytical Methods: >99.0%
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128438-01-7 / (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid

Standard CAS: 128438-01-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128438-01-7
Multi CAS
No
Molecular Formula
C24H19N3O3S
Molecular Weight
429.500000
Exact Mass
429.114713
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O/N=C(/C4=CSC(=N4)N)\C(=O)O
InChI
InChI=1S/C24H19N3O3S/c25-23-26-20(16-31-23)21(22(28)29)27-30-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H2,25,26)(H,28,29)/b27-21-
InChIKey
XEZIFGWTSLOMMT-MEFGMAGPSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
23
Fraction Csp3
0.04
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
120.99
TPSA
97.8

LogP / Solubility

WLOGP
4.52
MLOGP
4.01
XLogP3
5.6
Consensus LogP
4.71
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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